(11beta,20R)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid

Analyte Name

(11beta,20R)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid

CAS Number

27149-67-3

Molecular Formula

C21H30O5

Molecular Weight

362.46

Accurate Mass

362.21

SMILES

C[C@@]12[C@@H]([C@@H](O)C(O)=O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])[C@@H](O)C2)=O

InChI

InChI=1S/C21H30O5/c1-20-8-7-12(22)9-11(20)3-4-13-14-5-6-15(18(24)19(25)26)21(14,2)10-16(23)17(13)20/h9,13-18,23-24H,3-8,10H2,1-2H3,(H,25,26)/t13-,14-,15+,16-,17+,18+,20-,21-/m0/s1

IUPAC

(R)-2-hydroxy-2-((8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat